ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate

C24H27N3O3 — CID 46491360

IUPACethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O3/c1-2-30-24(29)26-14-12-20(13-15-26)25-23(28)22-16-19-10-6-7-11-21(19)27(22)17-18-8-4-3-5-9-18/h3-11,16,20H,2,12-15,17H2,1H3,(H,25,28)
InChIKeyABAIXJNXHQYWPZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.04
Rot. Bonds5

About ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 46491360) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
PubChem CID46491360
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Nameethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O3/c1-2-30-24(29)26-14-12-20(13-15-26)25-23(28)22-16-19-10-6-7-11-21(19)27(22)17-18-8-4-3-5-9-18/h3-11,16,20H,2,12-15,17H2,1H3,(H,25,28)
InChIKeyABAIXJNXHQYWPZ-UHFFFAOYSA-N
XLogP4.04
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
1-[(3,5-dichlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801035
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 86877683
ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003707
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(benzylamino)-6-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109327101
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 167313753
1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide
CID 55959738
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 46636610
ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109373030

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate (CID 46491360) is ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is ABAIXJNXHQYWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-30-24(29)26-14-12-20(13-15-26)25-23(28)22-16-19-10-6-7-11-21(19)27(22)17-18-8-4-3-5-9-18/h3-11,16,20H,2,12-15,17H2,1H3,(H,25,28).
What are the key properties of ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 46491360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).